1,11-Dihydroxy-13-(hydroxymethyl)-3,5-dimethoxytricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-8-one
| Internal ID | f87d8b66-6a30-40c1-907e-267cdbb9dd38 |
| Taxonomy | Benzenoids > Tetralins |
| IUPAC Name | 1,11-dihydroxy-13-(hydroxymethyl)-3,5-dimethoxytricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-8-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C16H20O6/c1-21-9-4-11-14(13(5-9)22-2)16(20)6-8(18)3-10(15(11)19)12(16)7-17/h4-5,8,10,12,17-18,20H,3,6-7H2,1-2H3 |
| InChI Key | KKVJAMUGDMBKBM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H20O6 |
| Molecular Weight | 308.33 g/mol |
| Exact Mass | 308.12598835 g/mol |
| Topological Polar Surface Area (TPSA) | 96.20 Ų |
| XlogP | 0.30 |
| There are no found synonyms. |
![2D Structure of 1,11-Dihydroxy-13-(hydroxymethyl)-3,5-dimethoxytricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-8-one](https://plantaedb.com/storage/docs/compounds/2023/11/111-dihydroxy-13-hydroxymethyl-35-dimethoxytricyclo731027trideca-2735-trien-8-one.jpg "2D Structure of 1,11-Dihydroxy-13-(hydroxymethyl)-3,5-dimethoxytricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-8-one")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.40% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.27% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.17% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.15% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.94% | 85.14% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 92.84% | 96.95% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 90.95% | 95.93% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 88.55% | 91.07% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.87% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.08% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.16% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.24% | 94.00% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 84.06% | 86.92% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.42% | 97.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.34% | 90.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.18% | 97.25% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.18% | 98.75% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.70% | 92.62% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.29% | 92.94% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.10% | 91.19% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 78070996 |
| LOTUS | LTS0177131 |
| wikiData | Q104170374 |